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

32
Patents

174.00441 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.011686 125.0
[M+Na]+ 196.993628 138.0
[M-H]- 172.997134 126.4
[M+NH4]+ 192.038233 146.6
[M+K]+ 212.967568 127.1
[M+H-H2O]+ 157.001670 120.2
[M+HCOO]- 219.002611 143.3
[M+CH3COO]- 233.018261 188.0
[M+Na-2H]- 194.979076 132.6
[M]+ 174.00386142 137.7
[M]- 174.00495858 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