CID 42282037

(4-bromothiophen-2-yl)methanamine

Structural Information

Molecular Formula
C5H6BrNS
SMILES
C1=C(SC=C1Br)CN
InChI
InChI=1S/C5H6BrNS/c6-4-1-5(2-7)8-3-4/h1,3H,2,7H2
InChIKey
XQRUUHBPUXOVPD-UHFFFAOYSA-N
Compound name
(4-bromothiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

190.94043 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.94771 125.5
[M+Na]+ 213.92965 138.8
[M-H]- 189.93315 132.2
[M+NH4]+ 208.97425 150.8
[M+K]+ 229.90359 127.2
[M+H-H2O]+ 173.93769 126.1
[M+HCOO]- 235.93863 144.9
[M+CH3COO]- 249.95428 179.3
[M+Na-2H]- 211.91510 130.4
[M]+ 190.93988 144.1
[M]- 190.94098 144.1
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