CID 12607098

73437-35-1

Structural Information

Molecular Formula
C8H7ClN2S
SMILES
C1=CC2=C(C=C1Cl)C(=NS2)CN
InChI
InChI=1S/C8H7ClN2S/c9-5-1-2-8-6(3-5)7(4-10)11-12-8/h1-3H,4,10H2
InChIKey
XVGAOHPRNCVUTD-UHFFFAOYSA-N
Compound name
(5-chloro-1,2-benzothiazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

198.00185 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.009126 136.2
[M+Na]+ 220.991068 148.9
[M-H]- 196.994574 140.3
[M+NH4]+ 216.035673 158.9
[M+K]+ 236.965008 143.4
[M+H-H2O]+ 180.999110 131.5
[M+HCOO]- 243.000051 152.6
[M+CH3COO]- 257.015701 150.9
[M+Na-2H]- 218.976516 140.9
[M]+ 198.00130142 140.7
[M]- 198.00239858 140.7
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