CID 62481

Isothiocyanic acid

Structural Information

Molecular Formula
CHNS
SMILES
C(=N)=S
InChI
InChI=1S/CHNS/c2-1-3/h2H
InChIKey
GRHBQAYDJPGGLF-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

490
References

2953
Patents

58.98297 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 59.990246 106.7
[M+Na]+ 81.972188 117.4
[M+NH4]+ 77.016793 116.1
[M+K]+ 97.946128 109.8
[M-H]- 57.975694 107.6
[M+Na-2H]- 79.957636 111.5
[M]+ 58.982421 108.7
[M]- 58.983519 108.7
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