CID 137935613

3-(bromomethyl)-5-(trifluoromethyl)-1,2-thiazole

Structural Information

Molecular Formula
C5H3BrF3NS
SMILES
C1=C(SN=C1CBr)C(F)(F)F
InChI
InChI=1S/C5H3BrF3NS/c6-2-3-1-4(11-10-3)5(7,8)9/h1H,2H2
InChIKey
JGUYASONWLFOEC-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5-(trifluoromethyl)-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.91217 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.91945 134.9
[M+Na]+ 267.90139 149.7
[M-H]- 243.90489 137.4
[M+NH4]+ 262.94599 157.6
[M+K]+ 283.87533 138.1
[M+H-H2O]+ 227.90943 133.6
[M+HCOO]- 289.91037 148.7
[M+CH3COO]- 303.92602 185.4
[M+Na-2H]- 265.88684 139.2
[M]+ 244.91162 152.0
[M]- 244.91272 152.0
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.