CID 15582007

2-(chloromethyl)-5-methyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C4H5ClN2S
SMILES
CC1=NN=C(S1)CCl
InChI
InChI=1S/C4H5ClN2S/c1-3-6-7-4(2-5)8-3/h2H2,1H3
InChIKey
KMLZHRLGMVZPGX-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-methyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

147.98619 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99347 124.1
[M+Na]+ 170.97541 135.7
[M-H]- 146.97891 126.0
[M+NH4]+ 166.02001 146.5
[M+K]+ 186.94935 132.8
[M+H-H2O]+ 130.98345 118.8
[M+HCOO]- 192.98439 138.5
[M+CH3COO]- 207.00004 170.8
[M+Na-2H]- 168.96086 127.4
[M]+ 147.98564 128.1
[M]- 147.98674 128.1
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

patents stripe