CID 6358

2-bromopropane

Structural Information

Molecular Formula
C3H7Br
SMILES
CC(C)Br
InChI
InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3
InChIKey
NAMYKGVDVNBCFQ-UHFFFAOYSA-N
Compound name
2-bromopropane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

86
References

27744
Patents

121.97311 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.980386 116.4
[M+Na]+ 144.962328 128.2
[M-H]- 120.965834 120.1
[M+NH4]+ 140.006933 142.3
[M+K]+ 160.936268 119.5
[M+H-H2O]+ 104.970370 118.2
[M+HCOO]- 166.971311 137.7
[M+CH3COO]- 180.986961 170.7
[M+Na-2H]- 142.947776 125.1
[M]+ 121.97256142 134.3
[M]- 121.97365858 134.3
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