CID 63384015

2-bromo-5-(difluoromethyl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C3HBrF2N2S
SMILES
C1(=NN=C(S1)Br)C(F)F
InChI
InChI=1S/C3HBrF2N2S/c4-3-8-7-2(9-3)1(5)6/h1H
InChIKey
GQUADXWTZXHNAT-UHFFFAOYSA-N
Compound name
2-bromo-5-(difluoromethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

213.90118 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.90846 123.1
[M+Na]+ 236.89040 138.0
[M-H]- 212.89390 125.7
[M+NH4]+ 231.93500 145.6
[M+K]+ 252.86434 127.4
[M+H-H2O]+ 196.89844 122.0
[M+HCOO]- 258.89938 137.9
[M+CH3COO]- 272.91503 180.8
[M+Na-2H]- 234.87585 127.5
[M]+ 213.90063 141.3
[M]- 213.90173 141.3
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