CID 3073195

Benzoic acid, 2-hydroxy-, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide

Structural Information

Molecular Formula
C10H11ClN4O4
SMILES
C1=CC=C(C(=C1)C(=O)NNC(=O)N(CCCl)N=O)O
InChI
InChI=1S/C10H11ClN4O4/c11-5-6-15(14-19)10(18)13-12-9(17)7-3-1-2-4-8(7)16/h1-4,16H,5-6H2,(H,12,17)(H,13,18)
InChIKey
KVPYJPWFBHSDCE-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[(2-hydroxybenzoyl)amino]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.04688 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05416 160.2
[M+Na]+ 309.03610 165.8
[M-H]- 285.03960 165.3
[M+NH4]+ 304.08070 175.9
[M+K]+ 325.01004 164.7
[M+H-H2O]+ 269.04414 153.2
[M+HCOO]- 331.04508 184.1
[M+CH3COO]- 345.06073 208.0
[M+Na-2H]- 307.02155 164.8
[M]+ 286.04633 163.3
[M]- 286.04743 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.