CID 116462200

1602350-63-9

Structural Information

Molecular Formula
C11H9BrFN
SMILES
CC1=CC(=C(C=C1N2C=CC=C2)F)Br
InChI
InChI=1S/C11H9BrFN/c1-8-6-9(12)10(13)7-11(8)14-4-2-3-5-14/h2-7H,1H3
InChIKey
WLGDMOMKQDJDSV-UHFFFAOYSA-N
Compound name
1-(4-bromo-5-fluoro-2-methylphenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.99023 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.99751 147.4
[M+Na]+ 275.97945 161.3
[M-H]- 251.98295 155.1
[M+NH4]+ 271.02405 169.3
[M+K]+ 291.95339 149.5
[M+H-H2O]+ 235.98749 146.4
[M+HCOO]- 297.98843 169.0
[M+CH3COO]- 312.00408 191.6
[M+Na-2H]- 273.96490 152.8
[M]+ 252.98968 165.6
[M]- 252.99078 165.6
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

No patent data available for this compound.