CID 19973056

1020153-63-2

Structural Information

Molecular Formula
C9H6BrF
SMILES
C1=CC=C(C(=C1)C#CCBr)F
InChI
InChI=1S/C9H6BrF/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,7H2
InChIKey
QTIFDCKVZYPQKD-UHFFFAOYSA-N
Compound name
1-(3-bromoprop-1-ynyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

211.96368 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97096 133.3
[M+Na]+ 234.95290 147.8
[M-H]- 210.95640 136.0
[M+NH4]+ 229.99750 153.6
[M+K]+ 250.92684 135.0
[M+H-H2O]+ 194.96094 127.4
[M+HCOO]- 256.96188 151.4
[M+CH3COO]- 270.97753 190.8
[M+Na-2H]- 232.93835 140.5
[M]+ 211.96313 143.6
[M]- 211.96423 143.6
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