CID 124707625

[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanol

Structural Information

Molecular Formula
C4H3F3N2OS
SMILES
C(C1=NN=C(S1)C(F)(F)F)O
InChI
InChI=1S/C4H3F3N2OS/c5-4(6,7)3-9-8-2(1-10)11-3/h10H,1H2
InChIKey
MSGUVRAQHVDJQW-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.99182 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99910 129.0
[M+Na]+ 206.98104 139.8
[M-H]- 182.98454 125.7
[M+NH4]+ 202.02564 148.2
[M+K]+ 222.95498 137.2
[M+H-H2O]+ 166.98908 120.9
[M+HCOO]- 228.99002 142.2
[M+CH3COO]- 243.00567 174.0
[M+Na-2H]- 204.96649 131.6
[M]+ 183.99127 127.0
[M]- 183.99237 127.0
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

No patent data available for this compound.