CID 124985

Hypothiocyanite

Structural Information

Molecular Formula
CHNOS
SMILES
C(#N)SO
InChI
InChI=1S/CHNOS/c2-1-4-3/h3H
InChIKey
ZCZCOXLLICTZAH-UHFFFAOYSA-N
Compound name
hydroxy thiocyanate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

106
References

807
Patents

74.97788 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.985156 110.6
[M+Na]+ 97.967098 121.4
[M-H]- 73.970604 111.8
[M+NH4]+ 93.011703 132.7
[M+K]+ 113.94104 121.4
[M+H-H2O]+ 57.975140 100.6
[M+HCOO]- 119.97608 126.3
[M+CH3COO]- 133.99173 171.3
[M+Na-2H]- 95.952546 116.2
[M]+ 74.977331 106.9
[M]- 74.978429 106.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe