CID 13267101

7-bromohept-1-yne

Structural Information

Molecular Formula
C7H11Br
SMILES
C#CCCCCCBr
InChI
InChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h1H,3-7H2
InChIKey
SCHBMYWHADQVBE-UHFFFAOYSA-N
Compound name
7-bromohept-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

174.00441 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 125.0
[M+Na]+ 196.99363 138.0
[M-H]- 172.99713 126.4
[M+NH4]+ 192.03823 146.6
[M+K]+ 212.96757 127.1
[M+H-H2O]+ 157.00167 120.2
[M+HCOO]- 219.00261 143.3
[M+CH3COO]- 233.01826 188.0
[M+Na-2H]- 194.97908 132.6
[M]+ 174.00386 137.7
[M]- 174.00496 137.7
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