CID 524450

7-bromo-1-heptene

Structural Information

Molecular Formula
C7H13Br
SMILES
C=CCCCCCBr
InChI
InChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h2H,1,3-7H2
InChIKey
GNYDYUQVALBGGZ-UHFFFAOYSA-N
Compound name
7-bromohept-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

640
Patents

176.02007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.027346 132.5
[M+Na]+ 199.009288 143.2
[M-H]- 175.012794 135.4
[M+NH4]+ 194.053893 156.4
[M+K]+ 214.983228 132.5
[M+H-H2O]+ 159.017330 133.5
[M+HCOO]- 221.018271 153.7
[M+CH3COO]- 235.033921 180.3
[M+Na-2H]- 196.994736 140.3
[M]+ 176.01952142 151.8
[M]- 176.02061858 151.8
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