CID 63384078

(5-bromo-1,3,4-thiadiazol-2-yl)methanol

Structural Information

Molecular Formula
C3H3BrN2OS
SMILES
C(C1=NN=C(S1)Br)O
InChI
InChI=1S/C3H3BrN2OS/c4-3-6-5-2(1-7)8-3/h7H,1H2
InChIKey
NOACDUMFCRKIMP-UHFFFAOYSA-N
Compound name
(5-bromo-1,3,4-thiadiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

193.91495 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.92223 120.4
[M+Na]+ 216.90417 135.1
[M-H]- 192.90767 124.2
[M+NH4]+ 211.94877 143.2
[M+K]+ 232.87811 124.3
[M+H-H2O]+ 176.91221 121.1
[M+HCOO]- 238.91315 137.0
[M+CH3COO]- 252.92880 174.3
[M+Na-2H]- 214.88962 126.6
[M]+ 193.91440 140.8
[M]- 193.91550 140.8
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