CID 135923487

77337-93-0

Structural Information

Molecular Formula
C7H13Cl2N3O2
SMILES
C/C(=N\O)/C(=N/O)/N(CCCl)CCCl
InChI
InChI=1S/C7H13Cl2N3O2/c1-6(10-13)7(11-14)12(4-2-8)5-3-9/h13-14H,2-5H2,1H3/b10-6+,11-7-
InChIKey
YHTDEFVPGKKPJY-QZTBCQRESA-N
Compound name
(2E)-N,N-bis(2-chloroethyl)-N'-hydroxy-2-hydroxyiminopropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.03848 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04576 153.0
[M+Na]+ 264.02770 158.8
[M-H]- 240.03120 154.0
[M+NH4]+ 259.07230 171.5
[M+K]+ 280.00164 156.4
[M+H-H2O]+ 224.03574 148.8
[M+HCOO]- 286.03668 169.5
[M+CH3COO]- 300.05233 198.6
[M+Na-2H]- 262.01315 155.6
[M]+ 241.03793 156.4
[M]- 241.03903 156.4
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.