CID 122163181

(3-methyl-3h-diazirin-3-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C3H5ClN2O2S
SMILES
CC1(N=N1)CS(=O)(=O)Cl
InChI
InChI=1S/C3H5ClN2O2S/c1-3(5-6-3)2-9(4,7)8/h2H2,1H3
InChIKey
PYHNPRZTIFFTDD-UHFFFAOYSA-N
Compound name
(3-methyldiazirin-3-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.97603 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98331 131.3
[M+Na]+ 190.96525 143.9
[M-H]- 166.96875 134.0
[M+NH4]+ 186.00985 147.5
[M+K]+ 206.93919 140.8
[M+H-H2O]+ 150.97329 126.5
[M+HCOO]- 212.97423 144.4
[M+CH3COO]- 226.98988 175.2
[M+Na-2H]- 188.95070 138.4
[M]+ 167.97548 139.2
[M]- 167.97658 139.2
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.