CID 4594279

Bromopropiolic acid

Structural Information

Molecular Formula
C3HBrO2
SMILES
C(#CBr)C(=O)O
InChI
InChI=1S/C3HBrO2/c4-2-1-3(5)6/h(H,5,6)
InChIKey
ZSHNFLCNZCPFAB-UHFFFAOYSA-N
Compound name
3-bromoprop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

47
Patents

147.91599 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.92327 116.3
[M+Na]+ 170.90521 130.2
[M-H]- 146.90871 117.0
[M+NH4]+ 165.94981 137.8
[M+K]+ 186.87915 120.0
[M+H-H2O]+ 130.91325 111.8
[M+HCOO]- 192.91419 134.0
[M+CH3COO]- 206.92984 178.0
[M+Na-2H]- 168.89066 123.8
[M]+ 147.91544 127.2
[M]- 147.91654 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe