CID 14718800

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(methoxymethyl)benzene

Structural Information

Molecular Formula
C9H7BrF4O
SMILES
COCC1=C(C(=C(C(=C1F)F)CBr)F)F
InChI
InChI=1S/C9H7BrF4O/c1-15-3-5-8(13)6(11)4(2-10)7(12)9(5)14/h2-3H2,1H3
InChIKey
ZTARHONQZINXLM-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(methoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

285.96164 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.968916 150.8
[M+Na]+ 308.950858 165.7
[M-H]- 284.954364 153.2
[M+NH4]+ 303.995463 171.2
[M+K]+ 324.924798 153.5
[M+H-H2O]+ 268.958900 147.9
[M+HCOO]- 330.959841 168.8
[M+CH3COO]- 344.975491 199.6
[M+Na-2H]- 306.936306 153.8
[M]+ 285.96109142 167.6
[M]- 285.96218858 167.6
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