CID 17775

Chlorothioformic acid

Structural Information

Molecular Formula

SMILES

C(=O)(S)Cl

InChI

InChI=1S/CHClOS/c2-1(3)4/h(H,3,4)

InChIKey

KTRFZWJCHOQHMN-UHFFFAOYSA-N

Compound name

chloromethanethioic S-acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2959
Patents: 95.943665 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	96.950941	108.9
[M+Na]+	118.932883	118.9
[M-H]-	94.936389	110.4
[M+NH4]+	113.977488	133.7
[M+K]+	134.906823	117.3
[M+H-H2O]+	78.940925	106.4
[M+HCOO]-	140.941866	123.7
[M+CH3COO]-	154.957516	161.9
[M+Na-2H]-	116.918331	113.4
[M]+	95.94311642	112.1
[M]-	95.94421358	112.1

Literature stripe

literature stripe

Patent stripe

patents stripe