CID 3073197

4-chlorobenzoic acid 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide

Structural Information

Molecular Formula
C10H10Cl2N4O3
SMILES
C1=CC(=CC=C1C(=O)NNC(=O)N(CCCl)N=O)Cl
InChI
InChI=1S/C10H10Cl2N4O3/c11-5-6-16(15-19)10(18)14-13-9(17)7-1-3-8(12)4-2-7/h1-4H,5-6H2,(H,13,17)(H,14,18)
InChIKey
CTCLURLHLDTDNH-UHFFFAOYSA-N
Compound name
3-[(4-chlorobenzoyl)amino]-1-(2-chloroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.013 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02028 165.2
[M+Na]+ 327.00222 171.8
[M-H]- 303.00572 171.1
[M+NH4]+ 322.04682 181.5
[M+K]+ 342.97616 169.3
[M+H-H2O]+ 287.01026 159.2
[M+HCOO]- 349.01120 185.3
[M+CH3COO]- 363.02685 212.2
[M+Na-2H]- 324.98767 169.3
[M]+ 304.01245 170.1
[M]- 304.01355 170.1
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.